J. Rossmeisl

发表

High-Entropy Alloys as a Discovery Platform for Electrocatalysis

K. Jacobsen, T. Batchelor, Jack K. Pedersen, 2019, Joule.

Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode

H. Jónsson, J. Nørskov, T. Bligaard, 2004 .

Scaling properties of adsorption energies for hydrogen-containing molecules on transition-metal surfaces.

Ture R. Munter, J. Nørskov, T. Bligaard, 2007, Physical review letters.

Scaling relationships for adsorption energies on transition metal oxide, sulfide, and nitride surfaces.

J. Nørskov, T. Bligaard, F. Abild‐Pedersen, 2008, Angewandte Chemie.

Predicting catalysis: understanding ammonia synthesis from first-principles calculations.

H. Jónsson, J. Nørskov, T. Bligaard, 2006, The journal of physical chemistry. B.

Towards the computational design of solid catalysts.

J. Nørskov, T. Bligaard, J. Rossmeisl, 2009, Nature chemistry.

Synergistic effects in oxygen evolution activity of mixed iridium-ruthenium pyrochlores

I. Castelli, J. Rossmeisl, P. Krtil, 2021 .

Enhancing Activity for the Oxygen Evolution Reaction: The Beneficial Interaction of Gold with Manganese and Cobalt Oxides

J. Rossmeisl, I. Chorkendorff, P. Krtil, 2015 .

Trends in catalytic activity for SOFC anode materials

W. Bessler, J. Rossmeisl, 2008 .

Prediction of solid oxide fuel cell cathode activity with first-principles descriptors

D. Morgan, Y. Shao-horn, J. Rossmeisl, 2011 .

Communications: Elementary oxygen electrode reactions in the aprotic Li-air battery.

J. Nørskov, K. Jacobsen, K. Thygesen, 2010, The Journal of chemical physics.

First principles calculations and experimental insight into methane steam reforming over transition metal catalysts

J. Nørskov, T. Bligaard, F. Abild‐Pedersen, 2008 .

Electrolysis of water on (oxidized) metal surfaces

J. Nørskov, Á. Logadóttir, J. Rossmeisl, 2005 .

Electrolysis of water on oxide surfaces

J. Nørskov, J. Rossmeisl, G. Kroes, 2007 .

Calculated phase diagrams for the electrochemical oxidation and reduction of water over Pt(111).

Christopher D. Taylor, J. Nørskov, J. Rossmeisl, 2006, The journal of physical chemistry. B.

Alloys of platinum and early transition metals as oxygen reduction electrocatalysts.

A S Bondarenko, J Rossmeisl, A. Bondarenko, 2009, Nature chemistry.

Understanding the electrocatalysis of oxygen reduction on platinum and its alloys

Ib Chorkendorff, Ifan E. L. Stephens, Jan Rossmeisl, 2012 .

Single site porphyrine-like structures advantages over metals for selective electrochemical CO 2 reduction

J. Rossmeisl, P. Strasser, W. Ju, 2017 .

Structure, activity, and stability of platinum alloys as catalysts for the oxygen reduction reaction

U. G. Vej-Hansen, J. Rossmeisl, J. Schiøtz, 2015 .

Origin of electrolyte-dopant dependent sulfur poisoning of SOFC anodes.

J. Rossmeisl, S. Ebbesen, M. Mogensen, 2013, Physical chemistry chemical physics : PCCP.

Oxidation of Ethylene Carbonate on Li Metal Oxide Surfaces

L. Giordano, Y. Shao-horn, I. Castelli, 2018 .

Enhanced Carbon Dioxide Electroreduction to Carbon Monoxide over Defect-Rich Plasma-Activated Silver Catalysts.

J. Rossmeisl, E. Stach, H. Jeon, 2017, Angewandte Chemie.

Atomic scale analysis of sterical effects in the adsorption of 4,6-dimethyldibenzothiophene on a CoMoS hydrotreating catalyst

Signe S. Grønborg, J. Rossmeisl, P. G. Moses, 2016 .

Breaking with the Principles of Coreduction to Form Stoichiometric Intermetallic PdCu Nanoparticles

Jack K. Pedersen, J. Rossmeisl, M. Thomsen, 2022, Small methods.

Morphology and mechanism of highly selective Cu(II) oxide nanosheet catalysts for carbon dioxide electroreduction

J. Rossmeisl, Shan Jiang, P. Strasser, 2021, Nature Communications.

Pt-Sn-Co nanocubes as highly active catalysts for ethanol electro-oxidation

J. Rossmeisl, J. Timoshenko, Yen‐Ting Chen, 2020, Journal of Catalysis.

pH and Anion Effects on Cu–Phosphate Interfaces for CO Electroreduction

J. Rossmeisl, M. Escudero‐Escribano, A. Bagger, 2020, ACS Catalysis.

On the pH dependence of electrochemical proton transfer barriers

E. Skúlason, J. Rossmeisl, Karen Chan, 2016 .

Solar hydrogen production with semiconductor metal oxides: new directions in experiment and theory.

Hannes Jónsson, Michael Grätzel, Kevin Sivula, 2012, Physical chemistry chemical physics : PCCP.

Ab initio energetics of LaBO3(001) (B=Mn, Fe, Co, and Ni) for solid oxide fuel cell cathodes

Dane Morgan, Jan Rossmeisl, D. Morgan, 2009 .

Density-functional calculation of van der Waals forces for free-electron-like surfaces

P. Hyldgaard, B. Lundqvist, J. Rossmeisl, 2001 .

Predicting Catalytic Activity in Hydrogen Evolution Reaction

J. Rossmeisl, A. Bagger, Frederik C. Østergaard, 2022, Current Opinion in Electrochemistry.

High-Entropy Alloys as Catalysts for the CO2 and CO Reduction Reactions

T. Batchelor, Jack K. Pedersen, J. Rossmeisl, 2019, ACS Catalysis.

The Role of Interface in Stabilizing Reaction Intermediates for Hydrogen Evolution in Aprotic Li-Ion Battery Electrolyte

I. Castelli, J. Rossmeisl, N. Marković, 2019 .

Efficient CO2 to CO electrolysis on solid Ni–N–C catalysts at industrial current densities

J. Rossmeisl, P. Strasser, Xingli Wang, 2019, Energy & Environmental Science.

Ni–Fe–S Cubanes in CO2 Reduction Electrocatalysis: A DFT Study

J. Nørskov, J. Rossmeisl, H. Hansen, 2013 .

Bioinspired molecular co-catalysts bonded to a silicon photocathode for solar hydrogen evolution.

Ib Chorkendorff, Jens K Nørskov, Konrad Herbst, 2011, Nature materials.

Mechanistic reaction pathways of enhanced ethylene yields during electroreduction of CO2–CO co-feeds on Cu and Cu-tandem electrocatalysts

J. Rossmeisl, P. Strasser, S. Kühl, 2019, Nature Nanotechnology.

Influence of the Artificial Nanostructure on the LiF Formation at the Solid–Electrolyte Interphase of Carbon-Based Anodes

I. Castelli, J. Rossmeisl, K. Svane, 2020, ACS Applied Energy Materials.

Trends in stability of perovskite oxides.

J. Rossmeisl, J. M. García‐Lastra, F. Calle‐Vallejo, 2010, Angewandte Chemie.

Ab Initio to Activity: Machine Learning-Assisted Optimization of High-Entropy Alloy Catalytic Activity

Jack K. Pedersen, J. Rossmeisl, Christian M. Clausen, 2022, High Entropy Alloys & Materials.

pH in atomic scale simulations of electrochemical interfaces.

Karen Chan, Jan Rossmeisl, J. Rossmeisl, 2013, Physical chemistry chemical physics : PCCP.

Chemisorbed oxygen or surface oxides steer the selectivity in Pd electrocatalytic propene oxidation observed by operando Pd L-edge X-ray absorption spectroscopy

J. Rossmeisl, I. Chorkendorff, L. Pettersson, 2021, Catalysis Science & Technology.

Electrochemical Interface during Corrosion of Copper in Anoxic Sulfide-Containing Groundwater—A Computational Study

J. Rossmeisl, L. Pettersson, A. J. Johansson, 2020 .

Finite Bias Calculations to Model Interface Dipoles in Electrochemical Cells at the Atomic Scale

K. Thygesen, J. Rossmeisl, M. H. Hansen, 2016 .

Engendering Unprecedented Activation of Oxygen Evolution via Rational Pinning of Ni Oxidation State in Prototypical Perovskite: Close Juxtaposition of Synthetic Approach and Theoretical Conception

J. Rossmeisl, H. Hoster, S. Mukerjee, 2021, ACS Catalysis.

Changing the activity of electrocatalysts for oxygen reduction by tuning the surface electronic structure.

Jens K Nørskov, Vojislav Stamenkovic, Bongjin Simon Mun, 2006, Angewandte Chemie.

A simple and realistic model system for studying hydrogen bonds in β-sheets

O. Olsen, J. Nørskov, K. Jacobsen, 2003 .

Universality in Oxygen Reduction Electrocatalysis on Metal Surfaces

Venkatasubramanian Viswanathan, Heine Anton Hansen, Jens K. Nørskov, 2012 .

2022 roadmap on low temperature electrochemical CO2 reduction

Etosha R. Cave, H. Yadegari, J. Rossmeisl, 2022, Journal of Physics: Energy.

Improved Electrocatalytic Selectivity and Activity for Ammonia Synthesis on Diporphyrin Catalysts

J. Rossmeisl, A. Bagger, Alexander Bagger, 2022, The Journal of Physical Chemistry C.

First-Principles Based Kinetic Analysis of the Electrochemical Discharge of Water on Pt3M Skin Alloys

J. Nørskov, T. Jaramillo, J. Rossmeisl, 2009 .

Cover Picture: Volcano Relation for the Deacon Process over Transition‐Metal Oxides (ChemCatChem 1/2010)

T. Bligaard, F. Abild‐Pedersen, F. Studt, 2010 .

Exploring the Composition Space of High-Entropy Alloy Nanoparticles for the Electrocatalytic H2/CO Oxidation with Bayesian Optimization

Jack K. Pedersen, J. Rossmeisl, M. Arenz, 2022, ACS Catalysis.

Measuring Theoretical Descriptors of Water Oxidation: Free Energy Differences Between Intermediates Using Time-Resolved Optical Spectroscopy

J. Rossmeisl, Aritra Mandal, T. Cuk, 2020 .

Spectroelectrochemical Analysis of the Water Oxidation Mechanism on Doped Nickel Oxides

Reshma R. Rao, J. Rossmeisl, J. Durrant, 2022, Journal of the American Chemical Society.

Limitations of Electrochemical Nitrogen Oxidation toward Nitrate

J. Rossmeisl, A. Bagger, Alexander Bagger, 2022, The journal of physical chemistry letters.

Rational Catalyst Design for Higher Propene Partial Electro-oxidation Activity by Alloying Pd with Au

I. Castelli, J. Rossmeisl, I. Chorkendorff, 2022, The Journal of Physical Chemistry C.

Correlations between experiments and simulations for formic acid oxidation

J. Rossmeisl, M. Arenz, M. Escudero‐Escribano, 2022, Chemical science.

Titelbild: Changing the Activity of Electrocatalysts for Oxygen Reduction by Tuning the Surface Electronic Structure (Angew. Chem. 18/2006)

J. Nørskov, J. Rossmeisl, J. Greeley, 2006 .

Bridging the Catalyst Reactivity Gap between Au and Cu for the Reverse Water–Gas Shift Reaction

I. Castelli, J. Rossmeisl, H. Kristoffersen, 2022, The Journal of Physical Chemistry C.

Beyond the top of the volcano? - A unified approach to electrocatalytic oxygen reduction and oxygen evolution

J. Rossmeisl, P. Krtil, M. Busch, 2016 .

Chemical Insights into the Formation of Colloidal Iridium Nanoparticles from In Situ X-ray Total Scattering: Influence of Precursors and Cations on the Reaction Pathway.

Tiffany L. Kinnibrugh, Jack K. Pedersen, J. Rossmeisl, 2023, Journal of the American Chemical Society.

CO2 electroreduction on copper-cobalt nanoparticles: Size and composition effect

J. Rossmeisl, B. Cuenya, M. Ahmadi, 2018, Nano Energy.

Understanding activity and selectivity of metal-nitrogen-doped carbon catalysts for electrochemical reduction of CO2

Stefan Kaskel, Peter Strasser, Jan Rossmeisl, 2017, Nature Communications.

Unraveling Mechanistic Reaction Pathways of the Electrochemical CO2 Reduction on Fe–N–C Single-Site Catalysts

Peter Strasser, Jan Rossmeisl, J. Rossmeisl, 2019, ACS Energy Letters.

Platinum redispersion on metal oxides in low temperature fuel cells.

T. Bligaard, J. Rossmeisl, I. Cerri, 2013, Physical chemistry chemical physics : PCCP.

Uncovering the electrochemical interface of low-index copper surfaces in deep groundwater environments

J. Rossmeisl, L. Pettersson, A. J. Johansson, 2020 .

Cyclic voltammograms for H on Pt(111) and Pt(100) from first principles.

J. Nørskov, T. Bligaard, E. Skúlason, 2007, Physical review letters.

Electrochemical Synthesis of High-Value Chemicals: Detection of Key Reaction Intermediates and Products Combining Gas Chromatography–Mass Spectrometry and in Situ Infrared Spectroscopy

J. Rossmeisl, M. Arenz, M. Escudero‐Escribano, 2019, The Journal of Physical Chemistry C.

The oxygen reduction reaction mechanism on Pt(111) from density functional theory calculations

Egill Skúlason, Samira Siahrostami, Jens K. Nørskov, 2010 .

H(2) production through electro-oxidation of SO(2): identifying the fundamental limitations.

J. Rossmeisl, M. Björketun, R. Kriek, 2014, Physical chemistry chemical physics : PCCP.

SO2 - An indirect source of energy

J. Rossmeisl, V. Lates, M. Björketun, 2013 .

How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels

Andrew A. Peterson, Jens K. Nørskov, Frank Abild-Pedersen, 2010 .

Defect Chemistry and Electrical Conductivity of Sm-Doped La1–xSrxCoO3−δ for Solid Oxide Fuel Cells

K. Jacobsen, G. Dennler, I. Castelli, 2017 .

P-block single-metal-site tin/nitrogen-doped carbon fuel cell cathode catalyst for oxygen reduction reaction

J. Rossmeisl, D. Cullen, M. Sougrati, 2020, Nature Materials.

Water at Interfaces.

David T. Limmer, A. Michaelides, J. Rossmeisl, 2016, Chemical reviews.

Oxygen reduction on nanocrystalline ruthenia – local structure effects

J. Rossmeisl, S. Mukerjee, P. Krtil, 2015 .

Oxidation and Photo-Oxidation of Water on TiO2 Surface

J. Nørskov, J. Rossmeisl, G. Kroes, 2008 .

Number of outer electrons as descriptor for adsorption processes on transition metals and their oxides

John R. Kitchin, Marc T. M. Koper, Jan Rossmeisl, 2013 .

Trends in the electrochemical synthesis of H2O2: enhancing activity and selectivity by electrocatalytic site engineering.

Ib Chorkendorff, Samira Siahrostami, Paolo Malacrida, 2014, Nano letters.

Enabling direct H2O2 production through rational electrocatalyst design.

Ib Chorkendorff, Björn Wickman, Samira Siahrostami, 2013, Nature materials.

The Pt(111)/electrolyte interface under oxygen reduction reaction conditions: an electrochemical impedance spectroscopy study.

Ib Chorkendorff, Jens K Nørskov, Jan Rossmeisl, 2011, Langmuir : the ACS journal of surfaces and colloids.

A theoretical evaluation of possible transition metal electro-catalysts for N2 reduction.

H. Jónsson, J. Nørskov, T. Bligaard, 2012, Physical chemistry chemical physics : PCCP.

The atomic structure of protons and hydrides in Sm1.92Ca0.08Sn2O7−δ pyrochlore from DFT calculations and FTIR spectroscopy

J. Rossmeisl, T. Vegge, N. Bork, 2012 .

Metal Oxide‐Supported Platinum Overlayers as Proton‐Exchange Membrane Fuel Cell Cathodes

T. Bligaard, F. Abild‐Pedersen, F. Studt, 2012 .

Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces

John Kitchin, Jan Rossmeisl, J. Nørskov, 2011 .

Author Correction: Near ambient N_2 fixation on solid electrodes versus enzymes and homogeneous catalysts

J. Rossmeisl, M. Titirici, R. Jervis, 2023, Nature Reviews Chemistry.

Density functional theory based screening of ternary alkali-transition metal borohydrides: a computational material design project.

J Rossmeisl, A Tekin, G. D. Barmparis, 2009, The Journal of chemical physics.

New Platinum Alloy Catalysts for Oxygen Electroreduction Based on Alkaline Earth Metals

U. G. Vej-Hansen, J. Rossmeisl, I. Chorkendorff, 2017, Electrocatalysis.

DFT based study of transition metal nano-clusters for electrochemical NH3 production.

T. Bligaard, J. Rossmeisl, T. Vegge, 2013, Physical chemistry chemical physics : PCCP.

Relation between Hydrogen Evolution and Hydrodesulfurization Catalysis

J. Rossmeisl, P. G. Moses, M. Šarić, 2016 .

Hydrogen evolution on Au(111) covered with submonolayers of Pd

J. Nørskov, J. Rossmeisl, I. Chorkendorff, 2011 .

Three-Dimensional Carbon Electrocatalysts for CO2 or CO Reduction

J. Rossmeisl, Y. Jiao, Hao Wan, 2020, ACS Catalysis.

Electrochemical CO2 Reduction: A Classification Problem.

J. Rossmeisl, P. Strasser, W. Ju, 2017, Chemphyschem : a European journal of chemical physics and physical chemistry.

Operando XAS Study of the Surface Oxidation State on a Monolayer IrOx on RuOx and Ru Oxide Based Nanoparticles for Oxygen Evolution in Acidic Media.

J. Rossmeisl, I. Chorkendorff, E. Paoli, 2017, The journal of physical chemistry. B.

On the thickness of the double layer in ionic liquids.

Iuliia V. Voroshylova, S. Srirama, J. Rossmeisl, 2017, Physical chemistry chemical physics : PCCP.

Electrochemical Nitric Oxide Reduction on Metal Surfaces.

J. Rossmeisl, A. Bagger, Hao Wan, 2021, Angewandte Chemie.

Theoretical Optimization of Compositions of High‐Entropy Oxides for the Oxygen Evolution Reaction

J. Rossmeisl, K. Svane, 2022, Angewandte Chemie.

Unravelling Composition–Activity–Stability Trends in High Entropy Alloy Electrocatalysts by Using a Data‐Guided Combinatorial Synthesis Strategy and Computational Modeling

A. Ludwig, Jack K. Pedersen, J. Rossmeisl, 2022, Advanced Energy Materials.

What Makes High‐Entropy Alloys Exceptional Electrocatalysts?

Alfred Ludwig, Wolfgang Schuhmann, Jan Rossmeisl, 2021, Angewandte Chemie.

Lattice distortion releasing local surface strain on high-entropy alloys

Jack K. Pedersen, J. Rossmeisl, Christian M. Clausen, 2021, Nano Research.

Tuning the activity of Pt alloy electrocatalysts by means of the lanthanide contraction

U. G. Vej-Hansen, J. Rossmeisl, I. Chorkendorff, 2016, Science.

Following Paths of Maximum Catalytic Activity in the Composition Space of High‐Entropy Alloys

Jack K. Pedersen, J. Rossmeisl, M. Arenz, 2022, Advanced Energy Materials.

Modeling the Electrochemical Hydrogen Oxidation and Evolution Reactions on the Basis of Density Functional Theory Calculations

Thomas Bligaard, Hannes Jónsson, Egill Skúlason, 2010 .

Pt Skin Versus Pt Skeleton Structures of Pt3Sc as Electrocatalysts for Oxygen Reduction

J. Nørskov, J. Rossmeisl, I. Chorkendorff, 2014, Topics in Catalysis.

Screening of electrocatalytic materials for hydrogen evolution.

A. Bondarenko, J. Rossmeisl, I. Chorkendorff, 2010, Physical chemistry chemical physics : PCCP.

Universality in Oxygen Evolution Electrocatalysis on Oxide

Jan Rossmeisl, J. Rossmeisl, 2011 .

Probing the nanoscale structure of the catalytically active overlayer on Pt alloys with rare earths

J. Rossmeisl, I. Chorkendorff, P. Malacrida, 2016 .

Identifying active surface phases for metal oxide electrocatalysts: a study of manganese oxide bi-functional catalysts for oxygen reduction and water oxidation catalysis.

J. Nørskov, T. Jaramillo, J. Rossmeisl, 2012, Physical chemistry chemical physics : PCCP.

Modeling the electrified solid-liquid interface

Egill Skúlason, Jens K. Nørskov, Jan Rossmeisl, 2008 .

Density functional theory calculations for the hydrogen evolution reaction in an electrochemical double layer on the Pt(111) electrode.

H. Jónsson, J. Nørskov, T. Bligaard, 2007, Physical chemistry chemical physics : PCCP.

Toward the Decentralized Electrochemical Production of H2O2: A Focus on the Catalysis

Ib Chorkendorff, Rasmus Frydendal, Ifan E. L. Stephens, 2018 .

Electrochemical CO2 and CO reduction on metal-functionalized porphyrin-like graphene

Kristian Sommer Thygesen, Karsten Wedel Jacobsen, Marco Vanin, 2013 .

Self-supported Pt–CoO networks combining high specific activity with high surface area for oxygen reduction

J. Rossmeisl, K. Čépe, J. Kirkensgaard, 2020, Nature Materials.

Density functional studies of functionalized graphitic materials with late transition metals for Oxygen Reduction Reactions.

Jan Rossmeisl, J. Rossmeisl, F. Calle‐Vallejo, 2011, Physical chemistry chemical physics : PCCP.

Activity-selectivity trends in the electrochemical production of hydrogen peroxide over single site metal-nitrogen-carbon catalysts.

Shuang Li, Yanyan Sun, Peter Strasser, 2019, Journal of the American Chemical Society.

Electrochemical Reduction of CO2 on Metal-Nitrogen-Doped Carbon Catalysts

J. Rossmeisl, P. Strasser, W. Ju, 2019, ACS Catalysis.

Pt5Gd as a highly active and stable catalyst for oxygen electroreduction.

J. Rossmeisl, I. Chorkendorff, Brian P. Knudsen, 2012, Journal of the American Chemical Society.

Tuning the activity of Pt(111) for oxygen electroreduction by subsurface alloying.

Ib Chorkendorff, Lone Bech, Rasmus Frydendal, 2011, Journal of the American Chemical Society.

Orientation-Dependent Oxygen Evolution on RuO2 without Lattice Exchange

Yang Shao-Horn, Liang Qiao, Tejs Vegge, 2017 .

Electrochemical Hydrogen Evolution: Sabatier's Principle and the Volcano Plot

S. Dahl, J. Rossmeisl, A. B. Laursen, 2012 .

Electrocatalytic transformation of HF impurity to H2 and LiF in lithium-ion batteries

J. Connell, H. Gasteiger, I. Castelli, 2018, Nature Catalysis.

Understanding activity and selectivity of metal-nitrogen-doped carbon catalysts for electrochemical reduction of CO2

J. Rossmeisl, S. Kaskel, Guang-Ping Hao, 2017, Nature Communications.

First principles investigation of zinc-anode dissolution in zinc-air batteries.

Keld T. Lundgaard, J. Nørskov, J. Hummelshøj, 2013, Physical chemistry chemical physics : PCCP.

Local order in AgAuCuPdPt high entropy alloy surfaces

J. Rossmeisl, H. Kristoffersen, 2022, The Journal of Physical Chemistry C.

Surface Pourbaix diagrams and oxygen reduction activity of Pt, Ag and Ni(111) surfaces studied by DFT.

Jens K Nørskov, Jan Rossmeisl, J. Nørskov, 2008, Physical chemistry chemical physics : PCCP.

Oxygen evolution reaction: a perspective on a decade of atomic scale simulations†

J. Rossmeisl, S. Divanis, Tugce Kutlusoy, 2020, Chemical science.

Tailoring the Activity for Oxygen Evolution Electrocatalysis on Rutile TiO2(110) by Transition‐Metal Substitution

A. Vojvodić, J. Nørskov, H. Metiu, 2011 .

Formation energies of rutile metal dioxides using density functional theory

Heine Anton Hansen, Jens K. Nørskov, Jan Rossmeisl, 2009 .

Unifying the 2e(-) and 4e(-) Reduction of Oxygen on Metal Surfaces.

Jens K Nørskov, Venkatasubramanian Viswanathan, Heine Anton Hansen, 2012, The journal of physical chemistry letters.

20180319 H2O2 review revised (non highlighted)

J. Rossmeisl, I. Chorkendorff, I. Stephens, 2018 .

Ab initio charge analysis of pure and hydrogenated perovskites

N. Bonanos, J. Rossmeisl, T. Vegge, 2011 .

Fundamental Reaction Limitations for Formic Acid Oxidation

J. Rossmeisl, M. Arenz, M. Escudero‐Escribano, 2022 .

Fundamental limitation of electrocatalytic methane conversion to methanol.

K. Thygesen, J. Rossmeisl, I. Stephens, 2018, Physical chemistry chemical physics : PCCP.

Near ambient N_2 fixation on solid electrodes versus enzymes and homogeneous catalysts

J. Rossmeisl, M. Titirici, R. Jervis, 2023, Nature Reviews Chemistry.

Understanding Electrocatalysts for Low-Temperature Fuel Cells

J. Nørskov, M. Mavrikakis, J. Rossmeisl, 2010 .

Mechanistic Pathway in the Electrochemical Reduction of CO2 on RuO2

J. Nørskov, M. Karamad, J. Rossmeisl, 2015 .

Robust PtNi Nanoframe/N-doped Graphene Aerogel Electrocatalyst with Both High Activity and Stability.

J. Rossmeisl, R. Hübner, Yi Li, 2021, Angewandte Chemie.

Trace anodic migration of iridium and titanium ions and subsequent cathodic selectivity degradation in acid electrolysis systems

J. Rossmeisl, J. Kibsgaard, I. Chorkendorff, 2019 .

Adsorption-driven surface segregation of the less reactive alloy component.

Ib Chorkendorff, Jan Rossmeisl, J. Rossmeisl, 2009, Journal of the American Chemical Society.

Investigating the coverage dependent behaviour of CO on Gd/Pt(111).

J. Rossmeisl, I. Chorkendorff, M. H. Hansen, 2016, Physical chemistry chemical physics : PCCP.

Electrochemical chlorine evolution at rutile oxide (110) surfaces.

Thomas Bligaard, Frank Abild-Pedersen, Felix Studt, 2010, Physical chemistry chemical physics : PCCP.

Reactivity descriptors for direct methanol fuel cell anode catalysts

Manos Mavrikakis, Jeffrey Greeley, Jan Rossmeisl, 2008 .

Towards an atomistic understanding of electrocatalytic partial hydrocarbon oxidation: propene on palladium

J. Rossmeisl, I. Chorkendorff, P. G. Moses, 2019, Energy & Environmental Science.

pH in Grand Canonical Statistics of an Electrochemical Interface

J. Rossmeisl, M. H. Hansen, 2016 .

Simple descriptors for proton-conducting perovskites from density functional theory

N. Bonanos, J. Rossmeisl, T. Vegge, 2010 .

On the behavior of Brønsted-Evans-Polanyi relations for transition metal oxides.

J Rossmeisl, A. Vojvodić, T. Bligaard, 2011, The Journal of chemical physics.

Role of Catalyst in Controlling N2 Reduction Selectivity: A Unified View of Nitrogenase and Solid Electrodes

J. Rossmeisl, I. Stephens, A. Bagger, 2021 .

The role of an interface in stabilizing reaction intermediates for hydrogen evolution in aprotic electrolytes†

I. Castelli, J. Rossmeisl, F. Maglia, 2020, Chemical science.

Rationally Tailoring Catalysts for the CO Oxidation Reaction by Using DFT Calculations

Jack K. Pedersen, J. Rossmeisl, H. Kristoffersen, 2021, ACS Catalysis.

Fundamental Atomic Insight in Electrocatalysis

I. Castelli, J. Rossmeisl, M. H. Hansen, 2020, Handbook of Materials Modeling.

Towards identifying the active sites on RuO2(110) in catalyzing oxygen evolution

Reshma R. Rao, L. Giordano, Y. Shao-horn, 2017 .

Toward an Active and Stable Catalyst for Oxygen Evolution in Acidic Media: Ti‐Stabilized MnO2

Ib Chorkendorff, Rasmus Frydendal, Ifan E. L. Stephens, 2015 .

Universal transition state scaling relations for (de)hydrogenation over transition metals.

J. Nørskov, T. Bligaard, F. Abild‐Pedersen, 2011, Physical chemistry chemical physics : PCCP.

Surface electrocatalysis on high-entropy alloys

Jack K. Pedersen, J. Rossmeisl, Dengxin Yan, 2021 .

Modelling pH and potential in dynamic structures of the water/Pt(111) interface on the atomic scale.

J. Rossmeisl, A. Nilsson, M. H. Hansen, 2017, Physical chemistry chemical physics : PCCP.

Bifunctional anode catalysts for direct methanol fuel cells

Sang-Eun Bae, M. Mavrikakis, J. Rossmeisl, 2012 .

A DFT Structural Investigation of New Bimetallic PtSnx Surface Alloys Formed on the Pt(110) Surface and Their Interaction with Carbon Monoxide

J. Rossmeisl, S. Agnoli, Jian Zheng, 2016 .

Correction: Corrigendum: Enabling direct H 2 O 2 production through rational electrocatalyst design

M. Karamad, J. Rossmeisl, I. Chorkendorff, 2014 .

A Linear Response DFT+U Study of Trends in the Oxygen Evolution Activity of Transition Metal Rutile Dioxides

J. Rossmeisl, J. Kitchin, Zhongnan Xu, 2015 .

Importance of Surface IrOx in Stabilizing RuO2 for Oxygen Evolution.

J. Rossmeisl, I. Chorkendorff, E. Paoli, 2017, The journal of physical chemistry. B.

Bayesian Optimization of High‐Entropy Alloy Compositions for Electrocatalytic Oxygen Reduction

A. Ludwig, Jack K. Pedersen, J. Rossmeisl, 2021, Angewandte Chemie.

Reaction mechanism of dimethyl ether carbonylation to methyl acetate over mordenite: a combined DFT/experimental study

A. Jensen, F. Studt, J. Rossmeisl, 2017 .

Design of an active site towards optimal electrocatalysis: overlayers, surface alloys and near-surface alloys of Cu/Pt(111).

Ib Chorkendorff, Lone Bech, Jan Rossmeisl, 2012, Angewandte Chemie.

1 Supplementary Material Enabling Direct H 2 O 2 Production via Rational Electrocatalyst Design

J. Rossmeisl, I. Chorkendorff, E. Paoli, 2013 .

Measuring the potential of zero charge

J. Rossmeisl, 2023, Nature Materials.

Standard hydrogen electrode and potential of zero charge in density functional calculations

Egill Skúlason, Jan Rossmeisl, E. Skúlason, 2011 .

Catalyst design criteria and fundamental limitations in the electrochemical synthesis of dimethyl carbonate

S. Dahl, J. Rossmeisl, P. G. Moses, 2019, Green Chemistry.

Toward sustainable fuel cells

Ib Chorkendorff, Jan Rossmeisl, J. Rossmeisl, 2016, Science.

Trends in Activity and Dissolution on RuO2 under Oxygen Evolution Conditions: Particles versus Well-Defined Extended Surfaces

Jonathan Hwang, Reshma R. Rao, Y. Shao-horn, 2018, ACS Energy Letters.

Ab Initio Thermodynamic Modeling of Electrified Metal–Oxide Interfaces: Consistent Treatment of Electronic and Ionic Chemical Potentials

J. Rossmeisl, J. Greeley, M. H. Hansen, 2014 .

Beyond the volcano limitations in electrocatalysis--oxygen evolution reaction.

Jan Rossmeisl, Valery Petrykin, J. Rossmeisl, 2014, Physical chemistry chemical physics : PCCP.

Widely available active sites on Ni2P for electrochemical hydrogen evolution--insights from first principles calculations.

Martin H Hansen, Jan Rossmeisl, J. Rossmeisl, 2015, Physical chemistry chemical physics : PCCP.

Trends in reactivity of oxides: applied to catalytic oxidation of hydrogen halides

T. Bligaard, J. Rossmeisl, A. Toftelund, 2012 .

Realistic Cyclic Voltammograms from Ab Initio Simulations in Alkaline and Acidic Electrolytes

J. Rossmeisl, M. Escudero‐Escribano, L. Arnarson, 2020 .

Ab Initio Cyclic Voltammetry onCu(111), Cu(100) and Cu(110) in Acidic, Neutral and Alkaline Solutions.

J. Rossmeisl, M. Escudero‐Escribano, B. Roldan Cuenya, 2019, Chemphyschem : a European journal of chemical physics and physical chemistry.

pH Effects on the Selectivity of the Electrocatalytic CO2 Reduction on Graphene-Embedded Fe–N–C Motifs: Bridging Concepts between Molecular Homogeneous and Solid-State Heterogeneous Catalysis

J. Rossmeisl, P. Strasser, Nathaniel Leonard, 2018 .

Role of the Band Gap for the Interaction Energy of Coadsorbed Fragments

I. Castelli, J. Rossmeisl, V. Pârvulescu, 2017 .

Generalized trends in the formation energies of perovskite oxides.

J. Rossmeisl, F. Calle‐Vallejo, M. Mogensen, 2013, Physical chemistry chemical physics : PCCP.

Physical and chemical nature of the scaling relations between adsorption energies of atoms on metal surfaces.

J. Rossmeisl, J. M. García‐Lastra, F. Calle‐Vallejo, 2012, Physical review letters.

The Influence of Particle Shape and Size on the Activity of Platinum Nanoparticles for Oxygen Reduction Reaction: A Density Functional Theory Study

Thomas Bligaard, Jan Rossmeisl, T. Bligaard, 2014, Catalysis Letters.

Atomic-Scale Modeling of Particle Size Effects for the Oxygen Reduction Reaction on Pt

J. Nørskov, J. Rossmeisl, J. Greeley, 2011 .

Tandem cathode for proton exchange membrane fuel cells.

Peter Strasser, Samira Siahrostami, Jan Rossmeisl, 2013, Physical chemistry chemical physics : PCCP.

Thermodynamic and kinetic properties of hydrogen defect pairs in SrTiO3 from density functional theory.

N. Bonanos, J. Rossmeisl, T. Vegge, 2011, Physical chemistry chemical physics : PCCP.

Enhanced Carbon Dioxide Electroreduction to Carbon Monoxide Over Defect Rich Plasma-Activated Silver Catalysts

J. Rossmeisl, E. Stach, H. Jeon, 2018 .

Topotactic Growth of Edge-Terminated MoS2 from MoO2 Nanocrystals.

J. Rossmeisl, P. G. Moses, Christian Dahl-Petersen, 2018, ACS nano.

Free energy difference to create the M-OH* intermediate of the oxygen evolution reaction by time-resolved optical spectroscopy

J. Rossmeisl, Aritra Mandal, T. Cuk, 2021, Nature Materials.

Electrochemical CO2 Reduction: Classifying Cu Facets

J. Rossmeisl, P. Strasser, W. Ju, 2019, ACS Catalysis.

Catalytic CO2/CO Reduction: Gas, Aqueous, and Aprotic Phases

J. Rossmeisl, A. Bagger, V. Ivaništšev, 2022, ACS Catalysis.

Estimations of electric field effects on the oxygen reduction reaction based on the density functional theory.

J Rossmeisl, J. Nørskov, J. Rossmeisl, 2007, Physical chemistry chemical physics : PCCP.

Understanding Cation Effects on the Hydrogen Evolution Reaction

Mikayla A. Wood, J. Rossmeisl, D. Milliron, 2022, ACS Energy Letters.

Volcano Relation for the Deacon Process over Transition‐Metal Oxides

T. Bligaard, F. Abild‐Pedersen, F. Studt, 2010 .

Can the CO2 Reduction Reaction Be Improved on Cu: Selectivity and Intrinsic Activity of Functionalized Cu Surfaces

J. Rossmeisl, J. Lauritsen, S. Pedersen, 2022, ACS Catalysis.

Electrochemical CO Reduction: A Property of the Electrochemical Interface.

J. Rossmeisl, E. Spohr, M. H. Hansen, 2019, Journal of the American Chemical Society.

Electrochemistry on the computer: Understanding how to tailor the metal overlayers for the oxygen reduction reaction (A perspective on the article, ''Improved oxygen reduction reactivity of platinum monolayers on transition metal surfaces", by A.U. Nilekar and M. Mavrikakis)

J. Nørskov, J. Rossmeisl, 2008 .

Highly active, selective, and stable Pd single-atom catalyst anchored on N-doped hollow carbon sphere for electrochemical H2O2 synthesis under acidic conditions

J. Rossmeisl, J. Kibsgaard, I. Chorkendorff, 2020 .

Ligand-Dependent Energetics for Dehydrogenation: Implications in Li-Ion Battery Electrolyte Stability and Selective Oxidation Catalysis of Hydrogen-Containing Molecules

L. Giordano, Yang Yu, Y. Shao-horn, 2019, Chemistry of Materials.

Trends in oxygen reduction and methanol activation on transition metal chalcogenides

J. Nørskov, J. Rossmeisl, G. Tritsaris, 2011 .

Accessing the Inaccessible: Analyzing the Oxygen Reduction Reaction in the Diffusion Limit.

J. Rossmeisl, M. Arenz, A. Zana, 2017, ACS applied materials & interfaces.

Rationality in the new oxygen evolution catalyst development

J. Rossmeisl, P. Krtil, R. Pittkowski, 2018, Current Opinion in Electrochemistry.

Theoretical Trends in Particle Size Effects for the Oxygen Reduction Reaction

J. Nørskov, J. Rossmeisl, J. Greeley, 2007 .

Trends for Methane Oxidation at Solid Oxide Fuel Cell Conditions

T. Bligaard, F. Abild‐Pedersen, J. Rossmeisl, 2009 .

Targeted design of α-MnO2 based catalysts for oxygen reduction

J. Rossmeisl, P. Krtil, M. Busch, 2016 .

Steering carbon dioxide reduction toward C–C coupling using copper electrodes modified with porous molecular films

J. Rossmeisl, P. Nazari, J. Lauritsen, 2023, Nature Communications.

Methanol Oxidation on Model Elemental and Bimetallic Transition Metal Surfaces

J. Rossmeisl, G. Tritsaris, 2012 .

Simulating Linear Sweep Voltammetry from First-Principles: Application to Electrochemical Oxidation of Water on Pt(111) and Pt3Ni(111)

J. Nørskov, T. Jaramillo, J. Rossmeisl, 2012 .

The Sabatier Principle Illustrated by Catalytic H2O2 Decomposition on Metal Surfaces

S. Dahl, J. Rossmeisl, A. B. Laursen, 2011 .

Exploring the Relationship between the CO Oxidation Reaction and the Elemental Composition in Electrocatalysts with Machine Learning - a Case Study of PtRuPdRhAu High Entropy Alloys

Jack K. Pedersen, J. Rossmeisl, M. Arenz, 2021 .

Exploring the Relationship between the CO Oxidation Reaction and the Elemental Composition in Electrocatalysts with Machine Learning - a Case Study of PtRuPdRhAu High Entropy Alloys

Jack K. Pedersen, J. Rossmeisl, M. Arenz, 2021 .

Combinatorial materials discovery strategy for high entropy alloy electrocatalysts using deposition source permutations

A. Ludwig, Jack K. Pedersen, J. Rossmeisl, 2021, 2106.08776.

What Atomic Positions Determines Reactivity of a Surface? Long‐Range, Directional Ligand Effects in Metallic Alloys

Jack K. Pedersen, J. Rossmeisl, Christian M. Clausen, 2021, Advanced science.

Complex‐Solid‐Solution Electrocatalyst Discovery by Computational Prediction and High‐Throughput Experimentation**

A. Ludwig, Jack K. Pedersen, J. Rossmeisl, 2020, Angewandte Chemie.

High-entropy oxides for the oxygen evolution reaction

J. Rossmeisl, K. Svane, 2022 .

Comparing Electrochemical and Biological Water Splitting

J. Nørskov, J. Rossmeisl, P. Siegbahn, 2007 .

Elucidation of the Oxygen Reduction Volcano in Alkaline Media using a Copper-Platinum(111) Alloy.

Ib Chorkendorff, Jan Rossmeisl, Aliaksandr S Bandarenka, 2018, Angewandte Chemie.

Ketene as a Reaction Intermediate in the Carbonylation of Dimethyl Ether to Methyl Acetate over Mordenite.

A. Jensen, F. Studt, J. Rossmeisl, 2015, Angewandte Chemie.

A Robust PtNi Nanoframe/N‐Doped Graphene Aerogel Electrocatalyst with Both High Activity and Stability

J. Rossmeisl, R. Hübner, Yi Li, 2022, Angewandte Chemie.

Insights in the Oxygen Reduction Reaction: From Metallic Electrocatalysts to Diporphyrins

J. Rossmeisl, M. Escudero‐Escribano, Hao Wan, 2020 .

Climbing the 3D Volcano for the Oxygen Reduction Reaction Using Porphyrin Motifs

J. Rossmeisl, Hao Wan, T. Østergaard, 2018, ACS Sustainable Chemistry & Engineering.

Atomic-Scale Analysis of the RuO2/Water Interface under Electrochemical Conditions

J. Rossmeisl, Eriko Watanabe, H. Ushiyama, 2016 .

Self-supported Pt-CoO networks for oxygen reduction: electrocatalysts combine high specific activity with high surface area

J. Rossmeisl, J. Kirkensgaard, M. Arenz, 2021 .

Trends in Metal Oxide Stability for Nanorods, Nanotubes, and Surfaces

D. J. Mowbray, J. Nørskov, K. Jacobsen, 2010, 1002.4834.

Steady state oxygen reduction and cyclic voltammetry.

J. Nørskov, T. Jaramillo, J. Rossmeisl, 2008, Faraday discussions.

Elucidating the activity of stepped Pt single crystals for oxygen reduction.

Jan Rossmeisl, Aliaksandr S Bandarenka, J. Rossmeisl, 2014, Physical chemistry chemical physics : PCCP.

Active-Phase Formation and Stability of Gd/Pt(111) Electrocatalysts for Oxygen Reduction: An In Situ Grazing Incidence X-Ray Diffraction Study.

J. Rossmeisl, I. Chorkendorff, I. Stephens, 2018, Chemistry.

Correlation between diffusion barriers and alloying energy in binary alloys.

U. G. Vej-Hansen, J. Rossmeisl, J. Schiøtz, 2016, Physical chemistry chemical physics : PCCP.

Exploring the mobility of Cu in bimetallic nanocrystals to promote atomic-scale transformations under a reactive gas environment

Jack K. Pedersen, J. Rossmeisl, K. Jensen, 2023, Journal of Materials Chemistry A.

Synergistic effect of p-type and n-type dopants in semiconductors for efficient electrocatalytic water splitting

S. Mertens, J. Rossmeisl, H. Hoster, 2022, Chemical science.

Synergetic Surface Sensitivity of Photoelectrochemical Water Oxidation on TiO2 (Anatase) Electrodes

L. Kavan, I. Castelli, J. Rossmeisl, 2017 .

Lifting the discrepancy between experimental results and the theoretical predictions for the catalytic activity of RuO2(110) towards oxygen evolution reaction.

J. Rossmeisl, S. Divanis, Tugce Kutlusoy, 2021, Physical chemistry chemical physics : PCCP.

Modeling the adsorption of sulfur containing molecules and their hydrodesulfurization intermediates on the Co-promoted MoS2 catalyst by DFT

J. Rossmeisl, P. G. Moses, M. Šarić, 2018 .

Modeling the active sites of Co-promoted MoS2 particles by DFT.

J. Rossmeisl, P. G. Moses, M. Šarić, 2017, Physical chemistry chemical physics : PCCP.

Role of Catalytic Conversions of Ethylene Carbonate, Water, and HF in Forming the Solid-Electrolyte Interphase of Li-Ion Batteries

J. Connell, I. Castelli, J. Rossmeisl, 2023, ACS Catalysis.

Oxygen Reduction Reaction on Pt Overlayers Deposited onto a Gold Film: Ligand, Strain, and Ensemble Effect

J. Rossmeisl, M. Arenz, Yujia Deng, 2016 .

Intermetallic Alloys as CO Electroreduction Catalysts—Role of Isolated Active Sites

Jan Rossmeisl, M. Karamad, J. Rossmeisl, 2014 .

Modeling of the symmetry factor of electrochemical proton discharge via the Volmer reaction

E. Skúlason, J. Rossmeisl, M. Björketun, 2013 .

First principles investigation of the activity of thin film Pt, Pd and Au surface alloys for oxygen reduction.

J. Rossmeisl, H. Hansen, T. Vegge, 2015, Physical chemistry chemical physics : PCCP.

Multiple Reaction Paths for CO Oxidation on a 2D SnOx Nano‐Oxide on the Pt(110) Surface: Intrinsic Reactivity and Spillover

J. Rossmeisl, S. Agnoli, Jian Zheng, 2019, Advanced Materials Interfaces.

Modeling Anion Poisoning during Oxygen Reduction on Pt Near-Surface Alloys

J. Rossmeisl, I. Chorkendorff, I. Stephens, 2023, ACS Catalysis.

Electrochemical Synthesis of Urea: Co-reduction of Nitric Oxide and Carbon Monoxide

J. Rossmeisl, P. Strasser, Xingli Wang, 2023, ACS Catalysis.

Enhanced Oxygen Reduction Reaction on Fe/N/C Catalyst in Acetate Buffer Electrolyte

J. Rossmeisl, M. Arenz, Kaspar Holst-Olesen, 2019, ACS Catalysis.

Comparison between the Oxygen Reduction Reaction Activity of Pd5Ce and Pt5Ce: The Importance of Crystal Structure

J. Rossmeisl, C. Marega, G. Granozzi, 2015 .

Ab initio Defect Energetics in LaBO3 Perovskite Solid Oxide Fuel Cell Materials

D. Morgan, J. Rossmeisl, J. Kleis, 2009, ECS Transactions.

Cover Picture: Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces (ChemCatChem 7/2011)

J. Nørskov, T. Jaramillo, J. Rossmeisl, 2011 .

Catalytic CO2/CO Reduction: Gas, Aqueous and Aprotic phase

J. Rossmeisl, A. Bagger, V. Ivaništšev, 2021 .

Avoiding pitfalls in the modeling of electrochemical interfaces

Kristian Sommer Thygesen, Jan Rossmeisl, K. Thygesen, 2013 .

Oxidative trends of TiO2—hole trapping at anatase and rutile surfaces

K. Jacobsen, S. Dahl, J. Rossmeisl, 2012 .

Electronic hole localization in rutile and anatase TiO2 – Self-interaction correction in Δ-SCF DFT

K. Jacobsen, J. Rossmeisl, P. Zawadzki, 2011 .

Efficient oxygen electrocatalysis on special active sites: A theoretical study

J. Rossmeisl, N. Halck, 2014 .

Thermochemistry and micro-kinetic analysis of methanol synthesis on ZnO (0001)

Andrew J. Medford, J. Nørskov, F. Studt, 2014 .

he oxygen reduction reaction mechanism on Pt ( 111 ) from density functional heory calculations

J. Rossmeisl, ladimir Tripković, E. Skúlasona, 2010 .

Photoelectrocatalysis and electrocatalysis on silicon electrodes decorated with cubane-like clusters

J. Nørskov, S. Dahl, J. Rossmeisl, 2012 .

Towards first principles modeling of electrochemical electrode-electrolyte interfaces

Martin Hangaard Hansen, Jan Rossmeisl, J. Rossmeisl, 2015 .

Volcano Relations for Oxidation of Hydrogen Halides over Rutile Oxide Surfaces

T. Bligaard, F. Abild‐Pedersen, F. Studt, 2012 .

Towards the computational design of solid catalysts.

J. Nørskov, T. Bligaard, J. Rossmeisl, 2009, Nature chemistry.

Structure, activity, and stability of platinum alloys as catalysts for the oxygen reduction reaction

U. G. Vej-Hansen, J. Rossmeisl, J. Schiøtz, 2015 .

pH in atomic scale simulations of electrochemical interfaces.

J. Rossmeisl, Karen Chan, M. Björketun, 2013, Physical chemistry chemical physics : PCCP.

Adsorption-driven surface segregation of the less reactive alloy component.

J. Rossmeisl, F. Calle‐Vallejo, I. Chorkendorff, 2009, Journal of the American Chemical Society.

Elucidating the Reaction Pathway of Glucose Electrooxidation to Its Valuable Products: The Influence of Mass Transport and Electrode Potential on the Product Distribution

J. Rossmeisl, A. Bagger, Nicolas Schlegel, 2023, The Journal of Physical Chemistry C.

First principles investigation of zinc-anode dissolution in zinc-air batteries.

Keld T. Lundgaard, J. Nørskov, J. Hummelshøj, 2013, Physical chemistry chemical physics : PCCP.

Fundamental limitation of electrocatalytic methane conversion to methanol.

K. Thygesen, J. Rossmeisl, I. Stephens, 2018, Physical chemistry chemical physics : PCCP.

Electrochemical carbonyl reduction on single-site M–N–C catalysts

J. Rossmeisl, A. Bagger, Frédéric Jaouen, 2023, Communications Chemistry.

A theoretical evaluation of possible transition metal electro-catalysts for N2 reduction.

J. Nørskov, T. Bligaard, F. Studt, 2012, Physical chemistry chemical physics : PCCP.

Role of the Band Gap for the Interaction Energy of Coadsorbed Fragments

I. Castelli, J. Rossmeisl, V. Pârvulescu, 2017 .

Design of an active site towards optimal electrocatalysis: overlayers, surface alloys and near-surface alloys of Cu/Pt(111).

J. Rossmeisl, F. Calle‐Vallejo, I. Chorkendorff, 2012, Angewandte Chemie.

Universal transition state scaling relations for (de)hydrogenation over transition metals.

J. Nørskov, T. Bligaard, F. Studt, 2011, Physical chemistry chemical physics : PCCP.

Cyclic voltammograms for H on Pt(111) and Pt(100) from first principles.

J. Nørskov, T. Bligaard, J. Rossmeisl, 2007, Physical Review Letters.

Orientation-Dependent Oxygen Evolution on RuO2 without Lattice Exchange

Reshma R. Rao, Y. Shao-horn, J. Rossmeisl, 2017 .

Ru rich Ru-Mn-O phases for selective suppression of chlorine evolution in sea water electrolysis

J. Rossmeisl, P. Krtil, Roman Nebel, 2023, Electrochimica Acta.

Role of vacancies in structural thermalization of binary and high-entropy alloys

Jack K. Pedersen, J. Rossmeisl, H. Kristoffersen, 2023, Acta Materialia.

The atomic structure of protons and hydrides in Sm1.92Ca0.08Sn2O7−δ pyrochlore from DFT calculations and FTIR spectroscopy

J. Rossmeisl, T. Vegge, N. Bork, 2012 .

Surface Curvature Effect on Dual-Atom Site Oxygen Electrocatalysis

J. Rossmeisl, Ritums Cepitis, N. Kongi, 2023, ACS energy letters.

Low-temperature non-equilibrium synthesis of anisotropic multimetallic nanosurface alloys for electrochemical CO2 reduction

Jack K. Pedersen, J. Rossmeisl, J. Zhang, 2023, Nature Synthesis.

Trends for Methane Oxidation at Solid Oxide Fuel Cell Conditions

T. Bligaard, J. Rossmeisl, Glenn Jones, 2009 .

Origin of electrolyte-dopant dependent sulfur poisoning of SOFC anodes.

J. Rossmeisl, S. Ebbesen, M. Mogensen, 2013, Physical chemistry chemical physics : PCCP.